3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide

C18H26N2O2 — CID 108940852

IUPAC3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H26N2O2/c1-14(2)19-17(21)13-18(22)20-10-8-16(9-11-20)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,19,21)
InChIKeyHCRGGEVBLIYZAP-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.38
Rot. Bonds5

About 3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide

3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide (PubChem CID 108940852) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
PubChem CID108940852
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H26N2O2/c1-14(2)19-17(21)13-18(22)20-10-8-16(9-11-20)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,19,21)
InChIKeyHCRGGEVBLIYZAP-UHFFFAOYSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
3-(4-benzylpiperidin-1-yl)-3-oxo-N-(3-phenylpropyl)propanamide
CID 108951179
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
CID 119778235
1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone
CID 108993605
2-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 60848653
N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide
CID 78780530
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
3-(4-benzylpiperidin-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide
CID 108952152
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]ethanesulfonamide
CID 112995482
N-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 94035900
4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 120558672

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide (CID 108940852) is 3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide is CC(C)NC(=O)CC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide?
The InChIKey is HCRGGEVBLIYZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14(2)19-17(21)13-18(22)20-10-8-16(9-11-20)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,19,21).
What are the key properties of 3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide?
3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide has a molecular weight of 302.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide is sourced from PubChem (CID 108940852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).